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[S-(R*,S*)]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-5,12-naphthacenedione
SpectraBase Compound ID 8YRUY8wvBjm
InChI InChI=1S/C21H20O7/c1-9(22)21(27)7-6-10-12(8-21)19(25)15-16(17(10)23)20(26)14-11(18(15)24)4-3-5-13(14)28-2/h3-5,9,22-23,25,27H,6-8H2,1-2H3/t9-,21+/m1/s1
InChIKey FCGIQQFXNIJXMK-BTKVJGODSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ActFpUbL528
Name [S-(R*,S*)]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-5,12-naphthacenedione
CAS Registry Number 40940-87-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-9(22)21(27)7-6-10-12(8-21)19(25)15-16(17(10)23)20(26)14-11(18(15)24)4-3-5-13(14)28-2/h3-5,9,22-23,25,27H,6-8H2,1-2H3/t9-,21+/m1/s1
InChIKey FCGIQQFXNIJXMK-BTKVJGODSA-N
Molecular Weight 384.384 g/mol
SMILES Oc1c2c(c(c3C[C@@](CCc13)([C@](O)(C)[H])O)O)C(c1c(C2=O)c(ccc1)OC)=O
SPLASH splash10-0019-0009000000-79f0c035e7550a207974
Source of Spectrum J-55-2529-18
Synonyms (8S)-6,8,11-trihydroxy-8-[(1R)-1-hydroxyethyl]-1-methoxy-7,8,9,10-tetrahydro-5,12-naphthacenedione
Wiley ID 1361516